Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 30377
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-1H TOCSY' . . . 30377 1
2 '2D 1H-1H NOESY' . . . 30377 1
3 '2D 1H-15N HSQC' . . . 30377 1
4 '2D 1H-13C HSQC' . . . 30377 1
5 '2D 1H-1H TOCSY' . . . 30377 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 ASP HA H 1 4.358 0.003 . . . . . . A 1 ASP HA . 30377 1
2 . 1 1 1 1 ASP HB2 H 1 2.753 0.004 . . . . . . A 1 ASP HB2 . 30377 1
3 . 1 1 1 1 ASP HB3 H 1 2.890 0.004 . . . . . . A 1 ASP HB3 . 30377 1
4 . 1 1 1 1 ASP CA C 13 53.289 0.000 . . . . . . A 1 ASP CA . 30377 1
5 . 1 1 1 1 ASP CB C 13 39.782 0.012 . . . . . . A 1 ASP CB . 30377 1
6 . 1 1 2 2 CYS H H 1 8.717 0.002 . . . . . . A 2 CYS H . 30377 1
7 . 1 1 2 2 CYS HA H 1 4.936 0.004 . . . . . . A 2 CYS HA . 30377 1
8 . 1 1 2 2 CYS HB2 H 1 3.152 0.005 . . . . . . A 2 CYS HB2 . 30377 1
9 . 1 1 2 2 CYS HB3 H 1 3.244 0.004 . . . . . . A 2 CYS HB3 . 30377 1
10 . 1 1 2 2 CYS CA C 13 55.379 0.000 . . . . . . A 2 CYS CA . 30377 1
11 . 1 1 2 2 CYS CB C 13 43.299 0.000 . . . . . . A 2 CYS CB . 30377 1
12 . 1 1 2 2 CYS N N 15 116.584 0.000 . . . . . . A 2 CYS N . 30377 1
13 . 1 1 3 3 LEU H H 1 8.524 0.002 . . . . . . A 3 LEU H . 30377 1
14 . 1 1 3 3 LEU HA H 1 4.342 0.001 . . . . . . A 3 LEU HA . 30377 1
15 . 1 1 3 3 LEU HB2 H 1 1.356 0.005 . . . . . . A 3 LEU HB2 . 30377 1
16 . 1 1 3 3 LEU HB3 H 1 1.815 0.002 . . . . . . A 3 LEU HB3 . 30377 1
17 . 1 1 3 3 LEU HG H 1 1.566 0.004 . . . . . . A 3 LEU HG . 30377 1
18 . 1 1 3 3 LEU HD11 H 1 0.962 0.002 . . . . . . A 3 LEU HD11 . 30377 1
19 . 1 1 3 3 LEU HD12 H 1 0.962 0.002 . . . . . . A 3 LEU HD12 . 30377 1
20 . 1 1 3 3 LEU HD13 H 1 0.962 0.002 . . . . . . A 3 LEU HD13 . 30377 1
21 . 1 1 3 3 LEU HD21 H 1 0.830 0.003 . . . . . . A 3 LEU HD21 . 30377 1
22 . 1 1 3 3 LEU HD22 H 1 0.830 0.003 . . . . . . A 3 LEU HD22 . 30377 1
23 . 1 1 3 3 LEU HD23 H 1 0.830 0.003 . . . . . . A 3 LEU HD23 . 30377 1
24 . 1 1 3 3 LEU CA C 13 54.440 0.000 . . . . . . A 3 LEU CA . 30377 1
25 . 1 1 3 3 LEU CB C 13 44.145 0.011 . . . . . . A 3 LEU CB . 30377 1
26 . 1 1 3 3 LEU CG C 13 26.095 0.000 . . . . . . A 3 LEU CG . 30377 1
27 . 1 1 3 3 LEU CD1 C 13 26.246 0.000 . . . . . . A 3 LEU CD1 . 30377 1
28 . 1 1 3 3 LEU CD2 C 13 22.280 0.000 . . . . . . A 3 LEU CD2 . 30377 1
29 . 1 1 3 3 LEU N N 15 121.431 0.000 . . . . . . A 3 LEU N . 30377 1
30 . 1 1 4 4 GLY H H 1 7.960 0.004 . . . . . . A 4 GLY H . 30377 1
31 . 1 1 4 4 GLY HA2 H 1 3.704 0.002 . . . . . . A 4 GLY HA2 . 30377 1
32 . 1 1 4 4 GLY HA3 H 1 3.477 0.009 . . . . . . A 4 GLY HA3 . 30377 1
33 . 1 1 4 4 GLY CA C 13 42.593 0.020 . . . . . . A 4 GLY CA . 30377 1
34 . 1 1 4 4 GLY N N 15 109.118 0.000 . . . . . . A 4 GLY N . 30377 1
35 . 1 1 5 5 TRP H H 1 7.636 0.004 . . . . . . A 5 TRP H . 30377 1
36 . 1 1 5 5 TRP HA H 1 3.713 0.003 . . . . . . A 5 TRP HA . 30377 1
37 . 1 1 5 5 TRP HB2 H 1 2.861 0.003 . . . . . . A 5 TRP HB2 . 30377 1
38 . 1 1 5 5 TRP HB3 H 1 3.054 0.004 . . . . . . A 5 TRP HB3 . 30377 1
39 . 1 1 5 5 TRP HD1 H 1 7.224 0.003 . . . . . . A 5 TRP HD1 . 30377 1
40 . 1 1 5 5 TRP HE1 H 1 10.201 0.003 . . . . . . A 5 TRP HE1 . 30377 1
41 . 1 1 5 5 TRP HE3 H 1 8.100 0.000 . . . . . . A 5 TRP HE3 . 30377 1
42 . 1 1 5 5 TRP HZ2 H 1 7.467 0.001 . . . . . . A 5 TRP HZ2 . 30377 1
43 . 1 1 5 5 TRP HZ3 H 1 6.475 0.005 . . . . . . A 5 TRP HZ3 . 30377 1
44 . 1 1 5 5 TRP HH2 H 1 7.084 0.004 . . . . . . A 5 TRP HH2 . 30377 1
45 . 1 1 5 5 TRP CA C 13 58.058 0.000 . . . . . . A 5 TRP CA . 30377 1
46 . 1 1 5 5 TRP CB C 13 29.676 0.000 . . . . . . A 5 TRP CB . 30377 1
47 . 1 1 5 5 TRP N N 15 117.767 0.000 . . . . . . A 5 TRP N . 30377 1
48 . 1 1 5 5 TRP NE1 N 15 129.600 0.000 . . . . . . A 5 TRP NE1 . 30377 1
49 . 1 1 6 6 PHE H H 1 9.022 0.003 . . . . . . A 6 PHE H . 30377 1
50 . 1 1 6 6 PHE HA H 1 3.554 0.002 . . . . . . A 6 PHE HA . 30377 1
51 . 1 1 6 6 PHE HB2 H 1 2.163 0.004 . . . . . . A 6 PHE HB2 . 30377 1
52 . 1 1 6 6 PHE HB3 H 1 2.717 0.004 . . . . . . A 6 PHE HB3 . 30377 1
53 . 1 1 6 6 PHE HD1 H 1 5.796 0.003 . . . . . . A 6 PHE HD1 . 30377 1
54 . 1 1 6 6 PHE HD2 H 1 5.796 0.003 . . . . . . A 6 PHE HD2 . 30377 1
55 . 1 1 6 6 PHE HE1 H 1 6.764 0.002 . . . . . . A 6 PHE HE1 . 30377 1
56 . 1 1 6 6 PHE HE2 H 1 6.764 0.002 . . . . . . A 6 PHE HE2 . 30377 1
57 . 1 1 6 6 PHE HZ H 1 6.483 0.001 . . . . . . A 6 PHE HZ . 30377 1
58 . 1 1 6 6 PHE CA C 13 59.863 0.000 . . . . . . A 6 PHE CA . 30377 1
59 . 1 1 6 6 PHE CB C 13 36.901 0.028 . . . . . . A 6 PHE CB . 30377 1
60 . 1 1 6 6 PHE N N 15 120.188 0.000 . . . . . . A 6 PHE N . 30377 1
61 . 1 1 7 7 LYS H H 1 7.852 0.003 . . . . . . A 7 LYS H . 30377 1
62 . 1 1 7 7 LYS HA H 1 4.379 0.002 . . . . . . A 7 LYS HA . 30377 1
63 . 1 1 7 7 LYS HB2 H 1 1.744 0.005 . . . . . . A 7 LYS HB2 . 30377 1
64 . 1 1 7 7 LYS HB3 H 1 2.026 0.004 . . . . . . A 7 LYS HB3 . 30377 1
65 . 1 1 7 7 LYS HG2 H 1 1.215 0.003 . . . . . . A 7 LYS HG2 . 30377 1
66 . 1 1 7 7 LYS HG3 H 1 1.467 0.004 . . . . . . A 7 LYS HG3 . 30377 1
67 . 1 1 7 7 LYS HD2 H 1 1.640 0.002 . . . . . . A 7 LYS HD2 . 30377 1
68 . 1 1 7 7 LYS HD3 H 1 1.640 0.002 . . . . . . A 7 LYS HD3 . 30377 1
69 . 1 1 7 7 LYS HE2 H 1 2.986 0.004 . . . . . . A 7 LYS HE2 . 30377 1
70 . 1 1 7 7 LYS HE3 H 1 2.983 0.001 . . . . . . A 7 LYS HE3 . 30377 1
71 . 1 1 7 7 LYS HZ1 H 1 7.540 0.001 . . . . . . A 7 LYS HZ1 . 30377 1
72 . 1 1 7 7 LYS HZ2 H 1 7.540 0.001 . . . . . . A 7 LYS HZ2 . 30377 1
73 . 1 1 7 7 LYS HZ3 H 1 7.540 0.001 . . . . . . A 7 LYS HZ3 . 30377 1
74 . 1 1 7 7 LYS CA C 13 54.496 0.000 . . . . . . A 7 LYS CA . 30377 1
75 . 1 1 7 7 LYS CB C 13 32.544 0.031 . . . . . . A 7 LYS CB . 30377 1
76 . 1 1 7 7 LYS CG C 13 24.524 0.005 . . . . . . A 7 LYS CG . 30377 1
77 . 1 1 7 7 LYS CD C 13 28.290 0.000 . . . . . . A 7 LYS CD . 30377 1
78 . 1 1 7 7 LYS CE C 13 42.101 0.000 . . . . . . A 7 LYS CE . 30377 1
79 . 1 1 7 7 LYS N N 15 119.861 0.000 . . . . . . A 7 LYS N . 30377 1
80 . 1 1 8 8 SER H H 1 8.445 0.002 . . . . . . A 8 SER H . 30377 1
81 . 1 1 8 8 SER HA H 1 4.894 0.004 . . . . . . A 8 SER HA . 30377 1
82 . 1 1 8 8 SER HB2 H 1 3.902 0.006 . . . . . . A 8 SER HB2 . 30377 1
83 . 1 1 8 8 SER HB3 H 1 3.955 0.003 . . . . . . A 8 SER HB3 . 30377 1
84 . 1 1 8 8 SER CA C 13 59.259 0.000 . . . . . . A 8 SER CA . 30377 1
85 . 1 1 8 8 SER CB C 13 63.554 0.000 . . . . . . A 8 SER CB . 30377 1
86 . 1 1 8 8 SER N N 15 116.924 0.000 . . . . . . A 8 SER N . 30377 1
87 . 1 1 9 9 CYS H H 1 8.205 0.004 . . . . . . A 9 CYS H . 30377 1
88 . 1 1 9 9 CYS HA H 1 4.825 0.005 . . . . . . A 9 CYS HA . 30377 1
89 . 1 1 9 9 CYS HB2 H 1 2.986 0.004 . . . . . . A 9 CYS HB2 . 30377 1
90 . 1 1 9 9 CYS HB3 H 1 3.063 0.004 . . . . . . A 9 CYS HB3 . 30377 1
91 . 1 1 9 9 CYS CA C 13 53.693 0.000 . . . . . . A 9 CYS CA . 30377 1
92 . 1 1 9 9 CYS CB C 13 46.398 0.025 . . . . . . A 9 CYS CB . 30377 1
93 . 1 1 9 9 CYS N N 15 119.541 0.000 . . . . . . A 9 CYS N . 30377 1
94 . 1 1 10 10 ASP H H 1 8.992 0.002 . . . . . . A 10 ASP H . 30377 1
95 . 1 1 10 10 ASP HA H 1 5.039 0.003 . . . . . . A 10 ASP HA . 30377 1
96 . 1 1 10 10 ASP HB2 H 1 2.525 0.005 . . . . . . A 10 ASP HB2 . 30377 1
97 . 1 1 10 10 ASP HB3 H 1 2.884 0.004 . . . . . . A 10 ASP HB3 . 30377 1
98 . 1 1 10 10 ASP CA C 13 49.152 0.000 . . . . . . A 10 ASP CA . 30377 1
99 . 1 1 10 10 ASP CB C 13 42.968 0.011 . . . . . . A 10 ASP CB . 30377 1
100 . 1 1 10 10 ASP N N 15 120.836 0.000 . . . . . . A 10 ASP N . 30377 1
101 . 1 1 11 11 PRO HA H 1 3.883 0.003 . . . . . . A 11 PRO HA . 30377 1
102 . 1 1 11 11 PRO HB2 H 1 1.905 0.002 . . . . . . A 11 PRO HB2 . 30377 1
103 . 1 1 11 11 PRO HB3 H 1 2.125 0.004 . . . . . . A 11 PRO HB3 . 30377 1
104 . 1 1 11 11 PRO HG2 H 1 1.819 0.002 . . . . . . A 11 PRO HG2 . 30377 1
105 . 1 1 11 11 PRO HG3 H 1 2.012 0.006 . . . . . . A 11 PRO HG3 . 30377 1
106 . 1 1 11 11 PRO HD2 H 1 3.834 0.003 . . . . . . A 11 PRO HD2 . 30377 1
107 . 1 1 11 11 PRO HD3 H 1 3.920 0.005 . . . . . . A 11 PRO HD3 . 30377 1
108 . 1 1 11 11 PRO CA C 13 64.467 0.000 . . . . . . A 11 PRO CA . 30377 1
109 . 1 1 11 11 PRO CB C 13 32.266 0.013 . . . . . . A 11 PRO CB . 30377 1
110 . 1 1 11 11 PRO CG C 13 27.634 0.014 . . . . . . A 11 PRO CG . 30377 1
111 . 1 1 11 11 PRO CD C 13 50.674 0.022 . . . . . . A 11 PRO CD . 30377 1
112 . 1 1 12 12 LYS H H 1 8.097 0.004 . . . . . . A 12 LYS H . 30377 1
113 . 1 1 12 12 LYS HA H 1 4.194 0.004 . . . . . . A 12 LYS HA . 30377 1
114 . 1 1 12 12 LYS HB2 H 1 1.800 0.002 . . . . . . A 12 LYS HB2 . 30377 1
115 . 1 1 12 12 LYS HB3 H 1 1.800 0.002 . . . . . . A 12 LYS HB3 . 30377 1
116 . 1 1 12 12 LYS HG2 H 1 1.417 0.004 . . . . . . A 12 LYS HG2 . 30377 1
117 . 1 1 12 12 LYS HG3 H 1 1.676 0.001 . . . . . . A 12 LYS HG3 . 30377 1
118 . 1 1 12 12 LYS HE2 H 1 2.986 0.000 . . . . . . A 12 LYS HE2 . 30377 1
119 . 1 1 12 12 LYS HE3 H 1 2.986 0.000 . . . . . . A 12 LYS HE3 . 30377 1
120 . 1 1 12 12 LYS HZ1 H 1 7.507 0.001 . . . . . . A 12 LYS HZ1 . 30377 1
121 . 1 1 12 12 LYS HZ2 H 1 7.507 0.001 . . . . . . A 12 LYS HZ2 . 30377 1
122 . 1 1 12 12 LYS HZ3 H 1 7.507 0.001 . . . . . . A 12 LYS HZ3 . 30377 1
123 . 1 1 12 12 LYS CA C 13 56.818 0.000 . . . . . . A 12 LYS CA . 30377 1
124 . 1 1 12 12 LYS CB C 13 32.424 0.000 . . . . . . A 12 LYS CB . 30377 1
125 . 1 1 12 12 LYS CG C 13 24.476 0.000 . . . . . . A 12 LYS CG . 30377 1
126 . 1 1 12 12 LYS N N 15 124.122 0.000 . . . . . . A 12 LYS N . 30377 1
127 . 1 1 13 13 ASN H H 1 7.576 0.004 . . . . . . A 13 ASN H . 30377 1
128 . 1 1 13 13 ASN HA H 1 4.678 0.003 . . . . . . A 13 ASN HA . 30377 1
129 . 1 1 13 13 ASN HB2 H 1 2.505 0.002 . . . . . . A 13 ASN HB2 . 30377 1
130 . 1 1 13 13 ASN HB3 H 1 2.612 0.003 . . . . . . A 13 ASN HB3 . 30377 1
131 . 1 1 13 13 ASN HD21 H 1 6.782 0.002 . . . . . . A 13 ASN HD21 . 30377 1
132 . 1 1 13 13 ASN HD22 H 1 6.477 0.001 . . . . . . A 13 ASN HD22 . 30377 1
133 . 1 1 13 13 ASN CA C 13 52.289 0.061 . . . . . . A 13 ASN CA . 30377 1
134 . 1 1 13 13 ASN CB C 13 38.261 0.006 . . . . . . A 13 ASN CB . 30377 1
135 . 1 1 13 13 ASN N N 15 119.495 0.000 . . . . . . A 13 ASN N . 30377 1
136 . 1 1 14 14 ASP H H 1 8.540 0.002 . . . . . . A 14 ASP H . 30377 1
137 . 1 1 14 14 ASP HA H 1 4.173 0.001 . . . . . . A 14 ASP HA . 30377 1
138 . 1 1 14 14 ASP HB2 H 1 2.501 0.003 . . . . . . A 14 ASP HB2 . 30377 1
139 . 1 1 14 14 ASP HB3 H 1 3.039 0.002 . . . . . . A 14 ASP HB3 . 30377 1
140 . 1 1 14 14 ASP CA C 13 55.651 0.000 . . . . . . A 14 ASP CA . 30377 1
141 . 1 1 14 14 ASP CB C 13 41.242 0.000 . . . . . . A 14 ASP CB . 30377 1
142 . 1 1 14 14 ASP N N 15 123.357 0.000 . . . . . . A 14 ASP N . 30377 1
143 . 1 1 15 15 LYS H H 1 8.012 0.003 . . . . . . A 15 LYS H . 30377 1
144 . 1 1 15 15 LYS HA H 1 4.662 0.004 . . . . . . A 15 LYS HA . 30377 1
145 . 1 1 15 15 LYS HB2 H 1 1.613 0.002 . . . . . . A 15 LYS HB2 . 30377 1
146 . 1 1 15 15 LYS HB3 H 1 2.356 0.003 . . . . . . A 15 LYS HB3 . 30377 1
147 . 1 1 15 15 LYS HG2 H 1 1.390 0.003 . . . . . . A 15 LYS HG2 . 30377 1
148 . 1 1 15 15 LYS HG3 H 1 1.487 0.002 . . . . . . A 15 LYS HG3 . 30377 1
149 . 1 1 15 15 LYS HE2 H 1 2.887 0.000 . . . . . . A 15 LYS HE2 . 30377 1
150 . 1 1 15 15 LYS HE3 H 1 2.887 0.000 . . . . . . A 15 LYS HE3 . 30377 1
151 . 1 1 15 15 LYS HZ1 H 1 7.487 0.001 . . . . . . A 15 LYS HZ1 . 30377 1
152 . 1 1 15 15 LYS HZ2 H 1 7.487 0.001 . . . . . . A 15 LYS HZ2 . 30377 1
153 . 1 1 15 15 LYS HZ3 H 1 7.487 0.001 . . . . . . A 15 LYS HZ3 . 30377 1
154 . 1 1 15 15 LYS CA C 13 54.380 0.000 . . . . . . A 15 LYS CA . 30377 1
155 . 1 1 15 15 LYS CB C 13 31.430 0.005 . . . . . . A 15 LYS CB . 30377 1
156 . 1 1 15 15 LYS CG C 13 24.502 0.002 . . . . . . A 15 LYS CG . 30377 1
157 . 1 1 15 15 LYS N N 15 127.714 0.000 . . . . . . A 15 LYS N . 30377 1
158 . 1 1 16 16 CYS H H 1 9.216 0.003 . . . . . . A 16 CYS H . 30377 1
159 . 1 1 16 16 CYS HA H 1 5.088 0.002 . . . . . . A 16 CYS HA . 30377 1
160 . 1 1 16 16 CYS HB2 H 1 2.939 0.003 . . . . . . A 16 CYS HB2 . 30377 1
161 . 1 1 16 16 CYS HB3 H 1 3.245 0.004 . . . . . . A 16 CYS HB3 . 30377 1
162 . 1 1 16 16 CYS CA C 13 56.825 0.000 . . . . . . A 16 CYS CA . 30377 1
163 . 1 1 16 16 CYS CB C 13 43.003 0.007 . . . . . . A 16 CYS CB . 30377 1
164 . 1 1 16 16 CYS N N 15 121.445 0.000 . . . . . . A 16 CYS N . 30377 1
165 . 1 1 17 17 CYS H H 1 9.415 0.001 . . . . . . A 17 CYS H . 30377 1
166 . 1 1 17 17 CYS HA H 1 4.510 0.005 . . . . . . A 17 CYS HA . 30377 1
167 . 1 1 17 17 CYS HB2 H 1 2.544 0.002 . . . . . . A 17 CYS HB2 . 30377 1
168 . 1 1 17 17 CYS HB3 H 1 3.500 0.004 . . . . . . A 17 CYS HB3 . 30377 1
169 . 1 1 17 17 CYS CA C 13 54.429 0.000 . . . . . . A 17 CYS CA . 30377 1
170 . 1 1 17 17 CYS CB C 13 41.847 0.008 . . . . . . A 17 CYS CB . 30377 1
171 . 1 1 17 17 CYS N N 15 121.345 0.000 . . . . . . A 17 CYS N . 30377 1
172 . 1 1 18 18 LYS H H 1 8.245 0.001 . . . . . . A 18 LYS H . 30377 1
173 . 1 1 18 18 LYS HA H 1 4.096 0.004 . . . . . . A 18 LYS HA . 30377 1
174 . 1 1 18 18 LYS HB2 H 1 1.827 0.003 . . . . . . A 18 LYS HB2 . 30377 1
175 . 1 1 18 18 LYS HB3 H 1 1.827 0.003 . . . . . . A 18 LYS HB3 . 30377 1
176 . 1 1 18 18 LYS HG2 H 1 1.424 0.005 . . . . . . A 18 LYS HG2 . 30377 1
177 . 1 1 18 18 LYS HG3 H 1 1.689 0.004 . . . . . . A 18 LYS HG3 . 30377 1
178 . 1 1 18 18 LYS HD2 H 1 1.541 0.001 . . . . . . A 18 LYS HD2 . 30377 1
179 . 1 1 18 18 LYS HD3 H 1 1.541 0.001 . . . . . . A 18 LYS HD3 . 30377 1
180 . 1 1 18 18 LYS CA C 13 57.875 0.000 . . . . . . A 18 LYS CA . 30377 1
181 . 1 1 18 18 LYS CB C 13 32.335 0.000 . . . . . . A 18 LYS CB . 30377 1
182 . 1 1 18 18 LYS CG C 13 25.247 0.021 . . . . . . A 18 LYS CG . 30377 1
183 . 1 1 18 18 LYS CD C 13 26.995 0.000 . . . . . . A 18 LYS CD . 30377 1
184 . 1 1 18 18 LYS N N 15 119.522 0.000 . . . . . . A 18 LYS N . 30377 1
185 . 1 1 19 19 ASN H H 1 8.519 0.004 . . . . . . A 19 ASN H . 30377 1
186 . 1 1 19 19 ASN HA H 1 3.915 0.002 . . . . . . A 19 ASN HA . 30377 1
187 . 1 1 19 19 ASN HB2 H 1 2.577 0.003 . . . . . . A 19 ASN HB2 . 30377 1
188 . 1 1 19 19 ASN HB3 H 1 3.140 0.002 . . . . . . A 19 ASN HB3 . 30377 1
189 . 1 1 19 19 ASN HD21 H 1 7.325 0.000 . . . . . . A 19 ASN HD21 . 30377 1
190 . 1 1 19 19 ASN HD22 H 1 6.800 0.000 . . . . . . A 19 ASN HD22 . 30377 1
191 . 1 1 19 19 ASN CA C 13 55.997 0.000 . . . . . . A 19 ASN CA . 30377 1
192 . 1 1 19 19 ASN CB C 13 36.927 0.012 . . . . . . A 19 ASN CB . 30377 1
193 . 1 1 19 19 ASN N N 15 115.325 0.000 . . . . . . A 19 ASN N . 30377 1
194 . 1 1 20 20 TYR H H 1 8.638 0.002 . . . . . . A 20 TYR H . 30377 1
195 . 1 1 20 20 TYR HA H 1 5.280 0.003 . . . . . . A 20 TYR HA . 30377 1
196 . 1 1 20 20 TYR HB2 H 1 2.652 0.005 . . . . . . A 20 TYR HB2 . 30377 1
197 . 1 1 20 20 TYR HB3 H 1 3.242 0.004 . . . . . . A 20 TYR HB3 . 30377 1
198 . 1 1 20 20 TYR HD1 H 1 6.719 0.002 . . . . . . A 20 TYR HD1 . 30377 1
199 . 1 1 20 20 TYR HD2 H 1 6.719 0.002 . . . . . . A 20 TYR HD2 . 30377 1
200 . 1 1 20 20 TYR HE1 H 1 6.479 0.003 . . . . . . A 20 TYR HE1 . 30377 1
201 . 1 1 20 20 TYR HE2 H 1 6.479 0.003 . . . . . . A 20 TYR HE2 . 30377 1
202 . 1 1 20 20 TYR CA C 13 56.164 0.000 . . . . . . A 20 TYR CA . 30377 1
203 . 1 1 20 20 TYR CB C 13 41.371 0.024 . . . . . . A 20 TYR CB . 30377 1
204 . 1 1 20 20 TYR N N 15 117.346 0.000 . . . . . . A 20 TYR N . 30377 1
205 . 1 1 21 21 THR H H 1 9.095 0.002 . . . . . . A 21 THR H . 30377 1
206 . 1 1 21 21 THR HA H 1 4.653 0.003 . . . . . . A 21 THR HA . 30377 1
207 . 1 1 21 21 THR HB H 1 3.808 0.002 . . . . . . A 21 THR HB . 30377 1
208 . 1 1 21 21 THR HG21 H 1 0.991 0.002 . . . . . . A 21 THR HG21 . 30377 1
209 . 1 1 21 21 THR HG22 H 1 0.991 0.002 . . . . . . A 21 THR HG22 . 30377 1
210 . 1 1 21 21 THR HG23 H 1 0.991 0.002 . . . . . . A 21 THR HG23 . 30377 1
211 . 1 1 21 21 THR CA C 13 60.216 0.000 . . . . . . A 21 THR CA . 30377 1
212 . 1 1 21 21 THR CB C 13 71.439 0.000 . . . . . . A 21 THR CB . 30377 1
213 . 1 1 21 21 THR CG2 C 13 20.470 0.000 . . . . . . A 21 THR CG2 . 30377 1
214 . 1 1 21 21 THR N N 15 113.404 0.000 . . . . . . A 21 THR N . 30377 1
215 . 1 1 22 22 CYS H H 1 9.611 0.005 . . . . . . A 22 CYS H . 30377 1
216 . 1 1 22 22 CYS HA H 1 4.549 0.003 . . . . . . A 22 CYS HA . 30377 1
217 . 1 1 22 22 CYS HB2 H 1 2.622 0.002 . . . . . . A 22 CYS HB2 . 30377 1
218 . 1 1 22 22 CYS HB3 H 1 3.087 0.004 . . . . . . A 22 CYS HB3 . 30377 1
219 . 1 1 22 22 CYS CA C 13 56.172 0.000 . . . . . . A 22 CYS CA . 30377 1
220 . 1 1 22 22 CYS CB C 13 38.624 0.015 . . . . . . A 22 CYS CB . 30377 1
221 . 1 1 22 22 CYS N N 15 127.254 0.000 . . . . . . A 22 CYS N . 30377 1
222 . 1 1 23 23 SER H H 1 7.930 0.003 . . . . . . A 23 SER H . 30377 1
223 . 1 1 23 23 SER HA H 1 4.342 0.002 . . . . . . A 23 SER HA . 30377 1
224 . 1 1 23 23 SER HB2 H 1 3.708 0.003 . . . . . . A 23 SER HB2 . 30377 1
225 . 1 1 23 23 SER HB3 H 1 3.953 0.001 . . . . . . A 23 SER HB3 . 30377 1
226 . 1 1 23 23 SER CA C 13 57.638 0.000 . . . . . . A 23 SER CA . 30377 1
227 . 1 1 23 23 SER CB C 13 63.707 0.003 . . . . . . A 23 SER CB . 30377 1
228 . 1 1 23 23 SER N N 15 116.032 0.000 . . . . . . A 23 SER N . 30377 1
229 . 1 1 24 24 ARG H H 1 8.872 0.001 . . . . . . A 24 ARG H . 30377 1
230 . 1 1 24 24 ARG HA H 1 3.790 0.002 . . . . . . A 24 ARG HA . 30377 1
231 . 1 1 24 24 ARG HB2 H 1 1.725 0.003 . . . . . . A 24 ARG HB2 . 30377 1
232 . 1 1 24 24 ARG HB3 H 1 1.815 0.003 . . . . . . A 24 ARG HB3 . 30377 1
233 . 1 1 24 24 ARG HG2 H 1 1.617 0.003 . . . . . . A 24 ARG HG2 . 30377 1
234 . 1 1 24 24 ARG HG3 H 1 1.617 0.003 . . . . . . A 24 ARG HG3 . 30377 1
235 . 1 1 24 24 ARG HD2 H 1 3.192 0.003 . . . . . . A 24 ARG HD2 . 30377 1
236 . 1 1 24 24 ARG HD3 H 1 3.192 0.003 . . . . . . A 24 ARG HD3 . 30377 1
237 . 1 1 24 24 ARG HE H 1 7.231 0.010 . . . . . . A 24 ARG HE . 30377 1
238 . 1 1 24 24 ARG CA C 13 59.468 0.000 . . . . . . A 24 ARG CA . 30377 1
239 . 1 1 24 24 ARG CB C 13 29.815 0.035 . . . . . . A 24 ARG CB . 30377 1
240 . 1 1 24 24 ARG CG C 13 28.327 0.000 . . . . . . A 24 ARG CG . 30377 1
241 . 1 1 24 24 ARG CD C 13 43.273 0.000 . . . . . . A 24 ARG CD . 30377 1
242 . 1 1 24 24 ARG N N 15 129.131 0.000 . . . . . . A 24 ARG N . 30377 1
243 . 1 1 25 25 ARG H H 1 7.891 0.004 . . . . . . A 25 ARG H . 30377 1
244 . 1 1 25 25 ARG HA H 1 4.095 0.003 . . . . . . A 25 ARG HA . 30377 1
245 . 1 1 25 25 ARG HB2 H 1 1.503 0.005 . . . . . . A 25 ARG HB2 . 30377 1
246 . 1 1 25 25 ARG HB3 H 1 1.675 0.000 . . . . . . A 25 ARG HB3 . 30377 1
247 . 1 1 25 25 ARG HG2 H 1 1.440 0.004 . . . . . . A 25 ARG HG2 . 30377 1
248 . 1 1 25 25 ARG HG3 H 1 1.570 0.001 . . . . . . A 25 ARG HG3 . 30377 1
249 . 1 1 25 25 ARG HD2 H 1 3.102 0.005 . . . . . . A 25 ARG HD2 . 30377 1
250 . 1 1 25 25 ARG HD3 H 1 3.102 0.005 . . . . . . A 25 ARG HD3 . 30377 1
251 . 1 1 25 25 ARG HE H 1 7.202 0.001 . . . . . . A 25 ARG HE . 30377 1
252 . 1 1 25 25 ARG CA C 13 58.702 0.000 . . . . . . A 25 ARG CA . 30377 1
253 . 1 1 25 25 ARG CB C 13 31.109 0.019 . . . . . . A 25 ARG CB . 30377 1
254 . 1 1 25 25 ARG CG C 13 26.956 0.004 . . . . . . A 25 ARG CG . 30377 1
255 . 1 1 25 25 ARG N N 15 119.854 0.000 . . . . . . A 25 ARG N . 30377 1
256 . 1 1 26 26 ASP H H 1 7.288 0.002 . . . . . . A 26 ASP H . 30377 1
257 . 1 1 26 26 ASP HA H 1 4.267 0.002 . . . . . . A 26 ASP HA . 30377 1
258 . 1 1 26 26 ASP HB2 H 1 1.078 0.004 . . . . . . A 26 ASP HB2 . 30377 1
259 . 1 1 26 26 ASP HB3 H 1 1.197 0.003 . . . . . . A 26 ASP HB3 . 30377 1
260 . 1 1 26 26 ASP CA C 13 54.694 0.000 . . . . . . A 26 ASP CA . 30377 1
261 . 1 1 26 26 ASP CB C 13 40.572 0.022 . . . . . . A 26 ASP CB . 30377 1
262 . 1 1 26 26 ASP N N 15 124.809 0.000 . . . . . . A 26 ASP N . 30377 1
263 . 1 1 27 27 ARG H H 1 8.167 0.002 . . . . . . A 27 ARG H . 30377 1
264 . 1 1 27 27 ARG HA H 1 3.748 0.003 . . . . . . A 27 ARG HA . 30377 1
265 . 1 1 27 27 ARG HB2 H 1 2.007 0.002 . . . . . . A 27 ARG HB2 . 30377 1
266 . 1 1 27 27 ARG HB3 H 1 2.341 0.004 . . . . . . A 27 ARG HB3 . 30377 1
267 . 1 1 27 27 ARG HG2 H 1 1.275 0.002 . . . . . . A 27 ARG HG2 . 30377 1
268 . 1 1 27 27 ARG HG3 H 1 1.394 0.001 . . . . . . A 27 ARG HG3 . 30377 1
269 . 1 1 27 27 ARG HD2 H 1 3.266 0.002 . . . . . . A 27 ARG HD2 . 30377 1
270 . 1 1 27 27 ARG HD3 H 1 3.266 0.002 . . . . . . A 27 ARG HD3 . 30377 1
271 . 1 1 27 27 ARG HE H 1 7.274 0.002 . . . . . . A 27 ARG HE . 30377 1
272 . 1 1 27 27 ARG CA C 13 57.252 0.000 . . . . . . A 27 ARG CA . 30377 1
273 . 1 1 27 27 ARG CB C 13 26.181 0.006 . . . . . . A 27 ARG CB . 30377 1
274 . 1 1 27 27 ARG CG C 13 28.120 0.037 . . . . . . A 27 ARG CG . 30377 1
275 . 1 1 27 27 ARG CD C 13 43.670 0.000 . . . . . . A 27 ARG CD . 30377 1
276 . 1 1 27 27 ARG N N 15 112.987 0.000 . . . . . . A 27 ARG N . 30377 1
277 . 1 1 28 28 TRP H H 1 6.796 0.005 . . . . . . A 28 TRP H . 30377 1
278 . 1 1 28 28 TRP HA H 1 5.558 0.002 . . . . . . A 28 TRP HA . 30377 1
279 . 1 1 28 28 TRP HB2 H 1 2.553 0.001 . . . . . . A 28 TRP HB2 . 30377 1
280 . 1 1 28 28 TRP HB3 H 1 3.083 0.005 . . . . . . A 28 TRP HB3 . 30377 1
281 . 1 1 28 28 TRP HD1 H 1 6.829 0.003 . . . . . . A 28 TRP HD1 . 30377 1
282 . 1 1 28 28 TRP HE1 H 1 10.115 0.003 . . . . . . A 28 TRP HE1 . 30377 1
283 . 1 1 28 28 TRP HE3 H 1 7.403 0.004 . . . . . . A 28 TRP HE3 . 30377 1
284 . 1 1 28 28 TRP HZ2 H 1 7.441 0.003 . . . . . . A 28 TRP HZ2 . 30377 1
285 . 1 1 28 28 TRP HZ3 H 1 7.084 0.004 . . . . . . A 28 TRP HZ3 . 30377 1
286 . 1 1 28 28 TRP HH2 H 1 7.201 0.004 . . . . . . A 28 TRP HH2 . 30377 1
287 . 1 1 28 28 TRP CA C 13 55.722 0.000 . . . . . . A 28 TRP CA . 30377 1
288 . 1 1 28 28 TRP CB C 13 31.293 0.010 . . . . . . A 28 TRP CB . 30377 1
289 . 1 1 28 28 TRP N N 15 111.453 0.000 . . . . . . A 28 TRP N . 30377 1
290 . 1 1 28 28 TRP NE1 N 15 129.140 0.000 . . . . . . A 28 TRP NE1 . 30377 1
291 . 1 1 29 29 CYS H H 1 8.415 0.001 . . . . . . A 29 CYS H . 30377 1
292 . 1 1 29 29 CYS HA H 1 4.934 0.005 . . . . . . A 29 CYS HA . 30377 1
293 . 1 1 29 29 CYS HB2 H 1 2.591 0.005 . . . . . . A 29 CYS HB2 . 30377 1
294 . 1 1 29 29 CYS HB3 H 1 3.310 0.002 . . . . . . A 29 CYS HB3 . 30377 1
295 . 1 1 29 29 CYS CA C 13 54.514 0.000 . . . . . . A 29 CYS CA . 30377 1
296 . 1 1 29 29 CYS CB C 13 39.114 0.021 . . . . . . A 29 CYS CB . 30377 1
297 . 1 1 29 29 CYS N N 15 118.651 0.000 . . . . . . A 29 CYS N . 30377 1
298 . 1 1 30 30 LYS H H 1 9.398 0.004 . . . . . . A 30 LYS H . 30377 1
299 . 1 1 30 30 LYS HA H 1 4.978 0.010 . . . . . . A 30 LYS HA . 30377 1
300 . 1 1 30 30 LYS HB2 H 1 1.917 0.005 . . . . . . A 30 LYS HB2 . 30377 1
301 . 1 1 30 30 LYS HB3 H 1 1.995 0.004 . . . . . . A 30 LYS HB3 . 30377 1
302 . 1 1 30 30 LYS HG2 H 1 1.535 0.003 . . . . . . A 30 LYS HG2 . 30377 1
303 . 1 1 30 30 LYS HG3 H 1 1.535 0.003 . . . . . . A 30 LYS HG3 . 30377 1
304 . 1 1 30 30 LYS HD2 H 1 1.727 0.004 . . . . . . A 30 LYS HD2 . 30377 1
305 . 1 1 30 30 LYS HD3 H 1 1.727 0.004 . . . . . . A 30 LYS HD3 . 30377 1
306 . 1 1 30 30 LYS CA C 13 54.967 0.000 . . . . . . A 30 LYS CA . 30377 1
307 . 1 1 30 30 LYS CB C 13 36.037 0.004 . . . . . . A 30 LYS CB . 30377 1
308 . 1 1 30 30 LYS CG C 13 24.914 0.000 . . . . . . A 30 LYS CG . 30377 1
309 . 1 1 30 30 LYS CD C 13 28.151 0.000 . . . . . . A 30 LYS CD . 30377 1
310 . 1 1 30 30 LYS N N 15 125.954 0.000 . . . . . . A 30 LYS N . 30377 1
311 . 1 1 31 31 TYR H H 1 8.098 0.004 . . . . . . A 31 TYR H . 30377 1
312 . 1 1 31 31 TYR HA H 1 4.219 0.005 . . . . . . A 31 TYR HA . 30377 1
313 . 1 1 31 31 TYR HB2 H 1 2.518 0.003 . . . . . . A 31 TYR HB2 . 30377 1
314 . 1 1 31 31 TYR HB3 H 1 2.772 0.005 . . . . . . A 31 TYR HB3 . 30377 1
315 . 1 1 31 31 TYR HD1 H 1 6.662 0.003 . . . . . . A 31 TYR HD1 . 30377 1
316 . 1 1 31 31 TYR HD2 H 1 6.662 0.003 . . . . . . A 31 TYR HD2 . 30377 1
317 . 1 1 31 31 TYR HE1 H 1 6.558 0.002 . . . . . . A 31 TYR HE1 . 30377 1
318 . 1 1 31 31 TYR HE2 H 1 6.558 0.002 . . . . . . A 31 TYR HE2 . 30377 1
319 . 1 1 31 31 TYR CA C 13 58.878 0.000 . . . . . . A 31 TYR CA . 30377 1
320 . 1 1 31 31 TYR CB C 13 38.598 0.009 . . . . . . A 31 TYR CB . 30377 1
321 . 1 1 31 31 TYR N N 15 114.973 0.000 . . . . . . A 31 TYR N . 30377 1
322 . 1 1 32 32 TYR H H 1 8.263 0.003 . . . . . . A 32 TYR H . 30377 1
323 . 1 1 32 32 TYR HA H 1 4.287 0.001 . . . . . . A 32 TYR HA . 30377 1
324 . 1 1 32 32 TYR HB2 H 1 2.544 0.003 . . . . . . A 32 TYR HB2 . 30377 1
325 . 1 1 32 32 TYR HB3 H 1 2.801 0.004 . . . . . . A 32 TYR HB3 . 30377 1
326 . 1 1 32 32 TYR HD1 H 1 6.857 0.003 . . . . . . A 32 TYR HD1 . 30377 1
327 . 1 1 32 32 TYR HD2 H 1 6.857 0.003 . . . . . . A 32 TYR HD2 . 30377 1
328 . 1 1 32 32 TYR HE1 H 1 6.709 0.005 . . . . . . A 32 TYR HE1 . 30377 1
329 . 1 1 32 32 TYR HE2 H 1 6.709 0.005 . . . . . . A 32 TYR HE2 . 30377 1
330 . 1 1 32 32 TYR CB C 13 38.704 0.000 . . . . . . A 32 TYR CB . 30377 1
331 . 1 1 32 32 TYR N N 15 127.227 0.000 . . . . . . A 32 TYR N . 30377 1
332 . 1 1 33 33 LEU H H 1 6.900 0.004 . . . . . . A 33 LEU H . 30377 1
333 . 1 1 33 33 LEU HA H 1 4.000 0.003 . . . . . . A 33 LEU HA . 30377 1
334 . 1 1 33 33 LEU HB2 H 1 1.368 0.003 . . . . . . A 33 LEU HB2 . 30377 1
335 . 1 1 33 33 LEU HB3 H 1 1.200 0.002 . . . . . . A 33 LEU HB3 . 30377 1
336 . 1 1 33 33 LEU HG H 1 0.937 0.003 . . . . . . A 33 LEU HG . 30377 1
337 . 1 1 33 33 LEU HD11 H 1 0.766 0.003 . . . . . . A 33 LEU HD11 . 30377 1
338 . 1 1 33 33 LEU HD12 H 1 0.766 0.003 . . . . . . A 33 LEU HD12 . 30377 1
339 . 1 1 33 33 LEU HD13 H 1 0.766 0.003 . . . . . . A 33 LEU HD13 . 30377 1
340 . 1 1 33 33 LEU HD21 H 1 0.658 0.003 . . . . . . A 33 LEU HD21 . 30377 1
341 . 1 1 33 33 LEU HD22 H 1 0.658 0.003 . . . . . . A 33 LEU HD22 . 30377 1
342 . 1 1 33 33 LEU HD23 H 1 0.658 0.003 . . . . . . A 33 LEU HD23 . 30377 1
343 . 1 1 33 33 LEU CA C 13 54.266 0.000 . . . . . . A 33 LEU CA . 30377 1
344 . 1 1 33 33 LEU CB C 13 42.357 0.020 . . . . . . A 33 LEU CB . 30377 1
345 . 1 1 33 33 LEU CG C 13 26.501 0.000 . . . . . . A 33 LEU CG . 30377 1
346 . 1 1 33 33 LEU CD1 C 13 24.762 0.000 . . . . . . A 33 LEU CD1 . 30377 1
347 . 1 1 33 33 LEU CD2 C 13 23.297 0.000 . . . . . . A 33 LEU CD2 . 30377 1
348 . 1 1 33 33 LEU N N 15 124.434 0.000 . . . . . . A 33 LEU N . 30377 1
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